SCHEMBL829552

SCHEMBL829552

C=C(CC)C(=O)OC(=O)C(=CC=Cc1ccccc1)CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GRIK1 P39086 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MCL1 Q07820 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL829949 0.89 KDM4E (0.48) LMNAALDH1A1KDM4EGRIK1POLB
SCHEMBL7584448 0.87 KDM4E (0.45) LMNAALDH1A1KDM4EGRIK1POLB
Maleic Acid SCHEMBL4001893 0.83 ALDH1A1 (0.41) LMNAALDH1A1KDM4EGRIK1POLB
SCHEMBL5725940 0.78 GRIK1 (0.56) LMNAALDH1A1KDM4EGRIK1HPGD
SCHEMBL6758382 0.77 KDM4E (0.45) LMNAALDH1A1KDM4EGRIK1POLB
SCHEMBL11428965 0.74 KDM4E (0.51) LMNAALDH1A1KDM4EGRIK1POLB
SCHEMBL10395474 0.74 ALDH1A1 (0.55) LMNAALDH1A1KDM4EGRIK1POLB
SCHEMBL10395475 0.74 ALDH1A1 (0.55) LMNAALDH1A1KDM4EGRIK1POLB
SCHEMBL4612269 0.73 GRIK1 (0.41) LMNAALDH1A1KDM4EGRIK1HPGD
SCHEMBL19093118 0.73 AKR1C3 (0.41) LMNAALDH1A1KDM4EGRIK1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1705519-B1 Method of treating a microelectronic substrate ROHM & HAAS ELECT MAT (US) 2016-07-06 EP disclosed
US-8142988-B2 Coating compositions for use with an overcoated photoresist ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2012-03-27 US disclosed
US-20060275696-A1 Coating compositions for use with an overcoated photoresist ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2006-12-07 US disclosed
US-20060228646-A1 Coating compositions for use with an overcoated photoresist ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2006-10-12 US disclosed
EP-1705519-A2 Coating compositions for use with an overcoated photoresist Rohm and Haas Electronic Materials, L.L.C. (US) 2006-09-27 EP disclosed
EP-1691238-A2 Coating compositions for use with an overcoated photoresist Rohm and Haas Electronic Materials, L.L.C. (US) 2006-08-16 EP disclosed